GOALI: Development and Applications of Multidimensional NMR Methods in Polymer Science

该提案是一个开发先进的多维核磁共振（NMR）实验的项目，并将这些方法应用于商业上重要的聚合物的表征。 在过去的十年中，三重共振三维（3D）NMR方法在研究生物大分子结构方面具有巨大的价值。 这些方法在聚合物科学中的应用相对较新。 最近，已经描述了将1-H、13-C和第三NMR活性核X（其中W是19-F、31-P、29-Si或119-Sn）的位移相关联的三重共振3D-NMR相关实验。 然而，许多商业上重要的聚合物材料是基于烃的（即，它们仅含有1-H和13-C NMR活性核）。 很明显，需要NMR方法来研究这些材料。 该项目的目的是开发一个多维核磁共振实验的网站，专门用于烃类合成聚合物的表征。 这些实验将被应用到表征的微观结构在商业上重要的共聚物和三元共聚物的乙烯与α-烯烃甲基丙烯酸甲酯，甲基丙烯酸，甲基丙烯酸丁酯和/或一氧化碳。 这些结构信息将用于深入了解聚合物中引发、终止、重排和支化反应的性质。该项目涉及学术和工业合作机构现有的价值超过1500万美元的独特资源的综合利用。 它将提供新的分析方法，这将是有价值的聚合物研究人员谁必须表征新材料的结构。 在这个项目中，从特定聚合物的分析中获得的信息将是有用的聚合物工程师谁将使用的结构信息，以开发工厂工艺的工程模型。 这些知识将有助于新材料的开发，有助于改善现有制造材料的性能，并有助于改进聚合物制造工艺的发展。 从长远来看，从该提案中获得的信息和方法将在材料科学行业中普遍使用。

This proposal is for a project to develop advanced multidimensional nuclear magnet resonance (NMR) experiments, and to apply these methods to the characterization of commercially important polymers. For the past decade, triple resonance three dimensional (3D) NMR methods have been enormously valuable for studying the structures of biological macromolecules. The use of these methods in polymer science is relatively new. Recently, triple resonance 3D-NMR correlation experiments relating the shifts of 1-H, 13-C and a third NMR active nucleus X (where W is 19-F, 31-P, 29-Si, or 119-Sn) have been described. However, many commercially important polymeric materials are hydrocarbon based (i.e., they contain only 1-H and 13-C NMR active nuclei). The need for NMR methodology to study these materials is clear. The purpose of this project is to develop a site of multidimensional NMR experiments tailored to the characterization of hydrocarbon-based synthetic polymers. These experiments will be applied to the characterization of the microstructures in commercially important copolymers and terpolymers of ethylene with a-olefins methyl methacrylate, methacrylic acid, butyl methacrylate and/or carbon monoxide. This structure information will be used to gain insight into the nature of initiation, termination, rearrangement and branch-forming reactions in the polymer.The project involves the combined use of existing unique resources, worth more than $15 million, at the academic and industrial partner institutions. It will provide new analytical methods which will be valuable to polymer researchers who must characterize the structures of new materials. The information obtained from the analysis of the specific polymers in this project will be useful to polymer engineers who will use the structure information to develop engineering models for plant processes. This knowledge will aid in the development of new materials, help to improve the properties of existing manufactured materials, and contribute to the development of improvement polymer manufacturing processes. In the long-term, the information and methodology obtained from this proposal will be of general use in the materials science industry.